Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations
ETH Zurich · University of Bern
Indexed inarxivcrossrefpubmed
Abstract
Quantum Monte Carlo simulations, while being efficient for bosons, suffer from the "negative sign problem" when applied to fermions--causing an exponential increase of the computing time with the number of particles. A polynomial time solution to the sign problem is highly desired since it would provide an unbiased and numerically exact method to simulate correlated quantum systems. Here we show that such a solution is almost certainly unattainable by proving that the sign problem is nondeterministic polynomial (NP) hard, implying that a generic solution of the sign problem would also solve all problems in the complexity class NP in polynomial time.
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2Topics & keywords
Topics
Keywords
- Statistical physics
- Monte Carlo method
- Quantum Monte Carlo
- Physics
- Monte Carlo molecular modeling
- Computer science
- Markov chain Monte Carlo
- Mathematics
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